Information card for entry 2013453

Structure parameters

• Common name: diaaqua-pyridine-2,3-dicarboxylate cobalt (II)
• Chemical name: catena- [diaqua(pyridine-2,3-dicarboxylato-κ^4^N:O,O',O')cobalt(II)]
• Formula: C7 H7 Co N O6
• Calculated formula: C7 H7 Co N O6
• SMILES: [Co]12([OH2])([OH2])([n]3c(C(=O)O1)c(ccc3)C(=O)O[Co]1([OH2])([OH2])[n]3c(c(ccc3)C(=O)[O]23)C(=O)O1)[O]1C(=O)c2c4[n](ccc2)[Co]([OH2])([OH2])(OC4=O)OC(=O)c2c4[n](ccc2)[Co]13([OH2])([OH2])OC4=O
• Title of publication: A one-dimensional zigzag coordination polymer of diaqua(pyridine-2,3-dicarboxylato)cobalt(II)
• Authors of publication: Zhang, Hong-Tao; Xiao-Zeng You
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: m313 - m314
• a: 7.72 ± 0.0015 Å
• b: 15.62 ± 0.003 Å
• c: 7.81 ± 0.0016 Å
• α: 90°
• β: 113.95 ± 0.03°
• γ: 90°
• Cell volume: 860.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes